N-(1-Ethyl-hexahydro-5-methyl-2,4,6-trioxo-5-pyrimidinyl)-2,3,4,5-tetrafluorobenzamide → n-(5-Ethyl-hexahydro-1-isopropyl-2,4,6-trioxo-5-pyrimidinyl)-2,3,4,5-tetrafluorobenzamide
반응식
[CH2:1]([N:2]1[C:3](=[O:4])[C:5]([NH:6][C:12]([c:13]2[c:14]([F:22])[c:15]([F:21])[c:16]([F:20])[c:17]([F:19])[cH:18]2)=[O:23])([CH3:7])[C:8](=[O:9])[NH:10][C:11]1=[O:24])[CH3:25].[NH2:26][C:27]1([CH2:39][CH3:40])[C:28](=[O:38])[NH:29][C:30](=[O:37])[N:31]([CH:34]([CH3:35])[CH3:36])[C:32]1=[O:33]>>[C:12]([c:13]1[c:14]([F:22])[c:15]([F:21])[c:16]([F:20])[c:17]([F:19])[cH:18]1)(=[O:23])[NH:26][C:27]1([CH2:39][CH3:40])[C:28](=[O:38])[NH:29][C:30](=[O:37])[N:31]([CH:34]([CH3:35])[CH3:36])[C:32]1=[O:33]참가 물질
3
출처 및 근거
- ORD 기록
- ord-5329d6c878ba458dbc8729b7c6784c7d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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